4-(Trifluoromethyl)-2-quinolinecarboxylic acid

C₁₁H₆F₃NO₂CAS 588702-67-4241.17 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₆F₃NO₂
Molar mass: 241.17 g/mol
Exact mass: 241.0351 Da
Melting point: 142–143 °C
logP: 2.95Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

588702-67-4

SMILES

O=C(O)c1cc(C(F)(F)F)c2ccccc2n1

InChIKey

YGGNZDRZJWUYRO-UHFFFAOYSA-N

InChI

InChI=1S/C11H6F3NO2/c12-11(13,14)7-5-9(10(16)17)15-8-4-2-1-3-6(7)8/h1-5H,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Quinolinecarboxylic acid, 4-(trifluoromethyl)-

Work with 4-(Trifluoromethyl)-2-quinolinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methoxy-2-quinolinecarboxylic acid15733-83-257 % similar 4-(Trifluoromethyl)-2(1H)-quinolinone25199-84-256 % similar 2-Chloro-4-quinolinecarboxylic acid5467-57-249 % similar Bicinchoninic acid1245-13-249 % similar 6-Trifluoromethyl-2-pyridinecarboxylic acid131747-42-749 % similar 2-(Trifluoromethyl)benzoic acid433-97-649 % similar Quinaldic acid93-10-748 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Trifluoromethyl)-3-quinolinecarboxylic acid587886-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook